ent-Cassa-12,15-diene
PubChem CID: 11471283
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| Compound Synonyms | ent-cassa-12,15-diene, CHEBI:50060, 5beta,8alpha,9beta,10alpha,14beta-13-ethenyl-14-methylpodocarp-12-ene, 5beta,8alpha,9beta,10alpha,14beta-14-methyl-13-vinylpodocarp-12-ene, (1S,4aR,4bS,8aR,10aR)-2-ethenyl-1,4b,8,8-tetramethyl-1,4,4a,5,6,7,8a,9,10,10a-decahydrophenanthrene, LMPR0104120001, C18226, Q27121879, 5b,8a,9b,10a,14b-14-Methyl-13-vinylpodocarp-12-ene, 664996-03-6 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | JQPDOKGAOXSRJD-SVEODPQUSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | (-)-ent-Cassa-12,15-diene |
| Heavy Atom Count | 20.0 |
| Compound Name | ent-Cassa-12,15-diene |
| Description | Ent-cassa-12,15-diene is a member of the class of compounds known as isocopalane and spongiane diterpenoids. Isocopalane and spongiane diterpenoids are diterpenoids with a structure based on the isocopalane (Tetradecahydro-1,1,4a,7,8,8a-hexamethylphenanthrene) or the 15,16-epoxyisocopalane skeleton. Thus, ent-cassa-12,15-diene is considered to be an isoprenoid lipid molecule. Ent-cassa-12,15-diene can be found in rice, which makes ent-cassa-12,15-diene a potential biomarker for the consumption of this food product. |
| Exact Mass | 272.25 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.25 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 427.0 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 272.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1S,4aR,4bS,8aR,10aR)-2-ethenyl-1,4b,8,8-tetramethyl-1,4,4a,5,6,7,8a,9,10,10a-decahydrophenanthrene |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H32/c1-6-15-8-10-17-16(14(15)2)9-11-18-19(3,4)12-7-13-20(17,18)5/h6,8,14,16-18H,1,7,9-13H2,2-5H3/t14-,16-,17-,18-,20+/m1/s1 |
| Smiles | C[C@H]1[C@H]2CC[C@H]3[C@]([C@@H]2CC=C1C=C)(CCCC3(C)C)C |
| Xlogp | 6.9 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H32 |
- 1. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:fooddb_chem_all